============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 37.283 31.006 19.069 -99.200 -91.000 TYR 14 0.840 26.175 30.859 26.477 -99.200 -91.000 TYR 22 0.840 32.068 9.572 33.257 -99.200 -91.000 HIS 23 0.900 32.417 17.431 29.533 -99.200 -91.000 PHE 24 1.000 26.998 13.175 31.415 -99.200 -91.000 TRP 34 1.040 14.021 24.948 35.326 -99.200 -91.000 TRP6 34 1.020 13.334 22.720 35.130 -99.200 -91.000 HIS 40 0.900 23.267 13.021 22.100 -99.200 -91.000 TYR 42 0.840 17.986 9.879 31.839 -99.200 -91.000 PHE 64 1.000 32.560 21.557 40.821 -99.200 -91.000 HIS 73 0.900 9.854 17.095 22.942 -99.200 -91.000 TYR 76 0.840 16.038 11.177 22.571 -99.200 -91.000 TRP 121 1.040 35.392 22.144 28.910 -99.200 -91.000 TRP6 121 1.020 33.357 23.018 29.668 -99.200 -91.000 TYR 131 0.840 37.641 13.574 24.603 -99.200 -91.000 TYR 152 0.840 24.517 14.425 8.115 -99.200 -91.000 PHE 161 1.000 20.571 24.813 13.848 -99.200 -91.000 TYR 165 0.840 33.116 26.507 8.785 -99.200 -91.000 TRP 192 1.040 21.689 14.001 14.294 -99.200 -91.000 TRP6 192 1.020 21.951 13.162 12.106 -99.200 -91.000 TYR 205 0.840 25.242 21.822 15.494 -99.200 -91.000 TYR 211 0.840 12.227 20.845 20.249 -99.200 -91.000 TRP 214 1.040 8.570 19.994 26.500 -99.200 -91.000 TRP6 214 1.020 10.878 19.783 26.799 -99.200 -91.000